prenspire#

Here is the UML for the old implementation with EnSpireFiles class.

Note

It can export spectra, grouped by pH values for Cl titrations, or at Cl=0 for pH titrations, to ../Tables-v??.

example:

Usage: enspireconvert foo.csv foo-note (–out Table)

Warning

It was converting initial spectra like:

  • SpectraA 280 : 300 - 650

  • SpectraC 260 - (Max_A-20) : Max_A

  • SpectraB Max_C : (Max_C+20) - 650

UML#

class EnspireFile {
 #file: Path
 #verbose: int=0
 +metadata: dict
 +measurements: {}
 +wells: []
 _ini
 _fin
 _wells_platemap: list
 _platemap:
 export_measurements()
}


class Note {
    #fpath: Path
    #verbose: int = 0
    +wells: list
    +titrations: dict[str, dict]
    +build_titrations()
}

EnspireFile "1" *-- "1" measurements : > extract_measurements()
measurement "*" -* "1" measurements

class measurements << (D,orchid) >> {
    "A": measurement
    "B": measurement
    ⋮
}

class measurement << (D,orchid) >> {
    "metadata": {}
    "lambda": []
    "A01": [y]
    .
    "H12": [y]
}